Glycoside
GD140342
Name:
Porphyromonas Gingivalis Lipid AFormula:
C78H149O19N2PSmiles:
CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCC(C)C)CC(O)=NC1C(OCC2OC(OP(=O)(O)O)C(N=C(O)CC(O)CCCCCCCCCCCC(C)C)C(OC(=O)CC(O)CCCCCCCCCCCCC)C2O)OC(CO)C(O)C1OAglycone:
CC(C)CCCCCCCCCCCC(O)CC(=N)O.CCCCCCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCC(C)C)CC(=N)O.O=P(O)(O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 17.08 | Num_rotatable_bonds: | 66 |
| MolWt: | 1450.02 | Num_heavy_atoms: | 100 |
| TPSA: | 333.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD10739
Formula: C16H32O3
Smiles:
CCCCCCCCCCCCCC(O)CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 272.43 | Num_heavy_atoms: | 19 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD56164
Formula: C17H35O2N
Smiles:
CC(C)CCCCCCCCCCCC(O)CC(=N)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 285.47 | Num_heavy_atoms: | 20 |
| TPSA: | 64.31 | NumAromaticRings: | 0 |
AD56589
Formula: C33H65O3N
Smiles:
CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCC(C)C)CC(=N)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 11.25 | Num_rotatable_bonds: | 29 |
| MolWt: | 523.89 | Num_heavy_atoms: | 37 |
| TPSA: | 70.38 | NumAromaticRings: | 0 |
